SCHEMBL20172828

SCHEMBL20172828

CN(c1ccccc1C(F)(F)F)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
KIF11 P52732 2/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RORC P51449 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20172842 0.94 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172837 0.93 ACP1 (0.35) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172831 0.91 KIF11 (0.35) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172811 0.86 ACP1 (0.33) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172803 0.86 MCL1 (0.33) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172826 0.86 KIF11 (0.32) KIF11MEN1CYP2C19KMT2A
SCHEMBL20650472 0.85 KIF11 (0.31) ACP1KIF11ESR1MEN1CYP2C19
SCHEMBL20172799 0.84 MEN1 (0.42) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172830 0.84 GABRA1 (0.37) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172859 0.84 ACP1 (0.34) ACP1KIF11ESR1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ACP1 4508/4885KIF11 3028/4885ESR1 48/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACP1 4508/4885KIF11 3028/4885ESR1 48/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.